| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9067988 |
| InChI Key | MCSCKCSPPKQNFR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14N3O1 |
| Molecular Weight | 204.11 |
| AlogP | 2.78 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 40.62 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 36576-70-2 |
| NORMAN SUSDAT | |
| PubChem | 18689321 |
| ChemSpider | 13703336.0 |